HRID1556584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID736490

Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate

C14H19NO3

结构：Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CCC(=O)O

HCID136128354

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CCC(=O)OCC1CCN(C(=O)OCc2ccccc2)CC1

HCID136128431

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b32a2848ffb46f8b69c78aaab8c65ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[O:37][C:38](=[O:39])[N:40]1[CH2:41][CH2:42][CH:43]([CH2:46][OH:47])[CH2:44][CH2:45]1.[CH3:1][c:2]1[c:3]([CH2:25][CH2:26][C:27](=[O:28])[OH:29])[cH:4][cH:5][c:6]([C:8](=[O:9])[N:10]2[c:11]3[c:12]([cH:21][cH:22][cH:23][cH:24]3)[NH:13][c:14]3[n:15]([CH3:20])[n:16][cH:17][c:18]3[CH2:19]2)[cH:7]1.[CH3:57][N:58]([c:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1)[CH3:65].[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[Cl:66][CH2:67][Cl:68]>>[CH3:1][c:2]1[c:3]([CH2:25][CH2:26][C:27]([O:28][CH2:46][CH:43]2[CH2:42][CH2:41][N:40]([C:38]([O:37][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)=[O:39])[CH2:45][CH2:44]2)=[O:29])[cH:4][cH:5][c:6]([C:8](=[O:9])[N:10]2[c:11]3[c:12]([cH:21][cH:22][cH:23][cH:24]3)[NH:13][c:14]3[n:15]([CH3:20])[n:16][cH:17][c:18]3[CH2:19]2)[cH:7]1